Benjamin A. Ellingson

发表

Analysis of SM8 and Zap TK calculations and their geometric sensitivity

Anthony Nicholls, Benjamin A. Ellingson, A. Geoffrey Skillman, 2010, J. Comput. Aided Mol. Des..

Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK

Christopher I. Bayly, Anthony Nicholls, Stanislaw Wlodek, 2014, Journal of Computer-Aided Molecular Design.

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

Benjamin A. Ellingson, A. Geoffrey Skillman, Paul C. D. Hawkins, 2010, J. Chem. Inf. Model..

Symmetry numbers and chemical reaction rates

Jorge M. C. Marques, Donald G. Truhlar, Benjamin A. Ellingson, 2007 .

Variational Transition State Theory with Multidimensional Tunneling

Benjamin A. Ellingson, B. C. Garrett, D. Truhlar, 2007 .

Multicoefficient Gaussian-3 calculation of the rate constant for the OH + CH4 reaction and its 12C/13C kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment.

Benjamin A. Ellingson, D. Truhlar, J. Pu, 2007, The journal of physical chemistry. A.

Reactions of hydrogen atom with hydrogen peroxide.

Benjamin A. Ellingson, D. Truhlar, Jingjing Zheng, 2007, The journal of physical chemistry. A.

Statistical thermodynamics of bond torsional modes: tests of separable, almost-separable, and improved Pitzer-Gwinn approximations.

Benjamin A. Ellingson, D. Truhlar, S. L. Mielke, 2006, The Journal of chemical physics.

Explanation of the unusual temperature dependence of the atmospherically important OH + H(2)S --> H(2)O + HS reaction and prediction of the rate constant at combustion temperatures.

Donald G Truhlar, Benjamin A. Ellingson, D. Truhlar, 2007, Journal of the American Chemical Society.

Temperature dependence of carbon-13 kinetic isotope effects of importance to global climate change.

Benjamin A. Ellingson, D. Truhlar, J. Pu, 2005, Journal of the American Chemical Society.